| Phytochemical Name : CID 6977891 |
| PCNDIDC0157 |
| Pubchem CID : 6977891 |
| Molecular formula: C22H28N2O4 |
| Canonical SMILES : CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O |
Synonymes : Rhynchophylline|76-66-4|Methyl (Z)-2-[(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.680 |
| Log Po/w (XLOGP3) : 2.310 |
| Log Po/w (WLOGP) : 1.750 |
| Log Po/w (MLOGP) : 2.020 |
| Log Po/w (SILICOS-IT) : 2.540 |
| Consensus Log Po/w : 2.460 |